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2,3-Dihydroxy-4-ethyl-9-methoxy-1,2,3,4,4A,4B,5,6-octahydrophenanthridine

View entire compound with spectra: 1 FTIR

2,3-Dihydroxy-4-ethyl-9-methoxy-1,2,3,4,4A,4B,5,6-octahydrophenanthridine
SpectraBase Compound ID 1Xbo0IXga04
InChI InChI=1S/C16H23NO3/c1-3-11-15-13(7-14(18)16(11)19)12-6-10(20-2)5-4-9(12)8-17-15/h4-6,11,13-19H,3,7-8H2,1-2H3
InChIKey VLOXXYXWYPLMOW-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4i6O5N7IIvF
Name 2,3-Dihydroxy-4-ethyl-9-methoxy-1,2,3,4,4A,4B,5,6-octahydrophenanthridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-3-11-15-13(7-14(18)16(11)19)12-6-10(20-2)5-4-9(12)8-17-15/h4-6,11,13-19H,3,7-8H2,1-2H3
InChIKey VLOXXYXWYPLMOW-UHFFFAOYSA-N
SMILES C12=CC=C(C=C2C2C(NC1)C(C(O)C(C2)O)CC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826901